N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C18H28N4 — CID 110925548

IUPACN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CCCN(Cc2ccc(CNC3=NCCCN3)cc2)C1
InChIInChI=1S/C18H28N4/c1-15-4-2-11-22(13-15)14-17-7-5-16(6-8-17)12-21-18-19-9-3-10-20-18/h5-8,15H,2-4,9-14H2,1H3,(H2,19,20,21)
InChIKeyYISBPUYZCQHKDF-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.36
Rot. Bonds4

About N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110925548) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110925548
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CCCN(Cc2ccc(CNC3=NCCCN3)cc2)C1
InChIInChI=1S/C18H28N4/c1-15-4-2-11-22(13-15)14-17-7-5-16(6-8-17)12-21-18-19-9-3-10-20-18/h5-8,15H,2-4,9-14H2,1H3,(H2,19,20,21)
InChIKeyYISBPUYZCQHKDF-UHFFFAOYSA-N
XLogP2.36
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine with MolForge

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Related Compounds

N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111109738
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 83960979
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346515
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111337607
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
1-benzyl-3-methylpiperidine
CID 2794856
2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]ethanethiol
CID 83960967

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110925548) is N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC1CCCN(Cc2ccc(CNC3=NCCCN3)cc2)C1.
What is the InChIKey of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is YISBPUYZCQHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15-4-2-11-22(13-15)14-17-7-5-16(6-8-17)12-21-18-19-9-3-10-20-18/h5-8,15H,2-4,9-14H2,1H3,(H2,19,20,21).
What are the key properties of N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110925548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).